SCHEMBL9664847

SCHEMBL9664847

ICCCCC#Cc1ccccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ LIPE Q05469 1/20 0.39
▸ APP P05067 3/20 0.38
▸ ALPG P10696 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ SGMS2 Q8NHU3 1/20 0.36
▸ CCNB2 O95067 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9673132 0.86 MAPT (0.57) MAPTL3MBTL1MAPK1TDP1LTA4H
Hydrochloric Acid SCHEMBL31644954 0.76 LTA4H (0.49) MAPTL3MBTL1MAPK1TDP1LTA4H
SCHEMBL22219370 0.73 MAPT (0.55) MAPTL3MBTL1MAPK1TDP1LTA4H
SCHEMBL3121966 0.71 HTR1A (0.67) MAPTL3MBTL1MAPK1TDP1KDM4E
SCHEMBL6161980 0.70 MAPT (0.53) MAPTL3MBTL1MAPK1TDP1LTA4H
SCHEMBL448079 0.70 MAOB (0.57) MAPTL3MBTL1MAPK1TDP1LTA4H
SCHEMBL31139621 0.70 MAPT (0.53) MAPTL3MBTL1MAPK1TDP1LTA4H
SCHEMBL2248786 0.70 MAPT (0.53) MAPTL3MBTL1MAPK1TDP1LTA4H
SCHEMBL15583709 0.69 MAOB (0.59) MAPTL3MBTL1LTA4HCYP1A2CYP2C19
SCHEMBL7526430 0.69 HTR1A (0.69) MAPTL3MBTL1MAPK1TDP1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485026-A2 Antimanic phenoxymethylene bisphosphonate derivatives MERCK SHARP & DOHME LTD. (GB) 1992-05-13 — — EP disclosed
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